3-[(1-tert-butyltriazol-4-yl)methylamino]-1-morpholin-4-ylpropan-1-one

C14H25N5O2 — CID 103399375

IUPAC3-[(1-tert-butyltriazol-4-yl)methylamino]-1-morpholin-4-ylpropan-1-one
SMILESCC(C)(C)n1cc(CNCCC(=O)N2CCOCC2)nn1
InChIInChI=1S/C14H25N5O2/c1-14(2,3)19-11-12(16-17-19)10-15-5-4-13(20)18-6-8-21-9-7-18/h11,15H,4-10H2,1-3H3
InChIKeyAAYJRFJFQKMFFI-UHFFFAOYSA-N
MW295.39 g/mol
LogP0.37
Rot. Bonds5

About 3-[(1-tert-butyltriazol-4-yl)methylamino]-1-morpholin-4-ylpropan-1-one

3-[(1-tert-butyltriazol-4-yl)methylamino]-1-morpholin-4-ylpropan-1-one (PubChem CID 103399375) has the molecular formula C14H25N5O2 and a molecular weight of 295.39 g/mol. Its IUPAC name is 3-[(1-tert-butyltriazol-4-yl)methylamino]-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name3-[(1-tert-butyltriazol-4-yl)methylamino]-1-morpholin-4-ylpropan-1-one
PubChem CID103399375
Molecular FormulaC14H25N5O2
Molecular Weight295.39 g/mol
Exact Mass295.20
IUPAC Name3-[(1-tert-butyltriazol-4-yl)methylamino]-1-morpholin-4-ylpropan-1-one
SMILESCC(C)(C)n1cc(CNCCC(=O)N2CCOCC2)nn1
InChIInChI=1S/C14H25N5O2/c1-14(2,3)19-11-12(16-17-19)10-15-5-4-13(20)18-6-8-21-9-7-18/h11,15H,4-10H2,1-3H3
InChIKeyAAYJRFJFQKMFFI-UHFFFAOYSA-N
XLogP0.37
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(1-tert-butyltriazol-4-yl)methylamino]-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 3-[(1-tert-butyltriazol-4-yl)methylamino]-1-morpholin-4-ylpropan-1-one (CID 103399375) is 3-[(1-tert-butyltriazol-4-yl)methylamino]-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 3-[(1-tert-butyltriazol-4-yl)methylamino]-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 3-[(1-tert-butyltriazol-4-yl)methylamino]-1-morpholin-4-ylpropan-1-one is CC(C)(C)n1cc(CNCCC(=O)N2CCOCC2)nn1.
What is the InChIKey of 3-[(1-tert-butyltriazol-4-yl)methylamino]-1-morpholin-4-ylpropan-1-one?
The InChIKey is AAYJRFJFQKMFFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O2/c1-14(2,3)19-11-12(16-17-19)10-15-5-4-13(20)18-6-8-21-9-7-18/h11,15H,4-10H2,1-3H3.
What are the key properties of 3-[(1-tert-butyltriazol-4-yl)methylamino]-1-morpholin-4-ylpropan-1-one?
3-[(1-tert-butyltriazol-4-yl)methylamino]-1-morpholin-4-ylpropan-1-one has a molecular weight of 295.39 g/mol, XLogP of 0.37, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-tert-butyltriazol-4-yl)methylamino]-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 103399375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).